Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02VFM
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| Former ID |
DNC013781
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| Drug Name |
DECIDIUM
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| Synonyms |
Decidium diiodide; AC1L2WE8; 123048-04-4; 3,8-Diamino-5,10'-(trimethylammonium)decyl-6-phenyl phenanthridium diiodide; 4-Phenanthrenedecanaminium, 1,6-diamino-N,N,N-trimethyl-3-phenyl-, iodide, monohydriodide; 10-(1,6-diamino-3-phenylphenanthren-4-yl)decyl-trimethylazanium iodide hydroiodide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C33H45I2N3
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| Canonical SMILES |
C[N+](C)(C)CCCCCCCCCCC1=C2C(=C(C=C1C3=CC=CC=C3)N)C=CC4=C2C=C(C=C4)N.I.[I-]
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| InChI |
1S/C33H44N3.2HI/c1-36(2,3)22-14-9-7-5-4-6-8-13-17-28-30(25-15-11-10-12-16-25)24-32(35)29-21-19-26-18-20-27(34)23-31(26)33(28)29;;/h10-12,15-16,18-21,23-24H,4-9,13-14,17,22,34-35H2,1-3H3;2*1H/q+1;;/p-1
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| InChIKey |
RJEYFBQMUHTEAX-UHFFFAOYSA-M
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| CAS Number |
CAS 123048-04-4
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Acetylcholinesterase (AChE) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Glycerophospholipid metabolism | |||
| Cholinergic synapse | ||||
| Panther Pathway | Muscarinic acetylcholine receptor 1 and 3 signaling pathway | |||
| Muscarinic acetylcholine receptor 2 and 4 signaling pathway | ||||
| Nicotinic acetylcholine receptor signaling pathway | ||||
| Pathwhiz Pathway | Phospholipid Biosynthesis | |||
| Pathway Interaction Database | ATF-2 transcription factor network | |||
| WikiPathways | Monoamine Transport | |||
| Biogenic Amine Synthesis | ||||
| Acetylcholine Synthesis | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely... J Med Chem. 2008 Jun 12;51(11):3154-70. | |||
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